3-(2-chloro-6-fluorophenyl)-5-methyl-2,5-dihydro-1,2,4-triazine

C10H9ClFN3 — CID 91007682

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-2,5-dihydro-1,2,4-triazine
SMILESCC1C=NNC(c2c(F)cccc2Cl)=N1
InChIInChI=1S/C10H9ClFN3/c1-6-5-13-15-10(14-6)9-7(11)3-2-4-8(9)12/h2-6H,1H3,(H,14,15)
InChIKeyNNYFIRYLLDFTPP-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.20
Rot. Bonds1

About 3-(2-chloro-6-fluorophenyl)-5-methyl-2,5-dihydro-1,2,4-triazine

3-(2-chloro-6-fluorophenyl)-5-methyl-2,5-dihydro-1,2,4-triazine (PubChem CID 91007682) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-2,5-dihydro-1,2,4-triazine.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-2,5-dihydro-1,2,4-triazine
PubChem CID91007682
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-2,5-dihydro-1,2,4-triazine
SMILESCC1C=NNC(c2c(F)cccc2Cl)=N1
InChIInChI=1S/C10H9ClFN3/c1-6-5-13-15-10(14-6)9-7(11)3-2-4-8(9)12/h2-6H,1H3,(H,14,15)
InChIKeyNNYFIRYLLDFTPP-UHFFFAOYSA-N
XLogP2.20
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-chloro-6-fluorophenyl)-5-methyl-2,5-dihydro-1,2,4-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-2,5-dihydro-1,2,4-triazine?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-2,5-dihydro-1,2,4-triazine (CID 91007682) is 3-(2-chloro-6-fluorophenyl)-5-methyl-2,5-dihydro-1,2,4-triazine.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-2,5-dihydro-1,2,4-triazine?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-2,5-dihydro-1,2,4-triazine is CC1C=NNC(c2c(F)cccc2Cl)=N1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-2,5-dihydro-1,2,4-triazine?
The InChIKey is NNYFIRYLLDFTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c1-6-5-13-15-10(14-6)9-7(11)3-2-4-8(9)12/h2-6H,1H3,(H,14,15).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-2,5-dihydro-1,2,4-triazine?
3-(2-chloro-6-fluorophenyl)-5-methyl-2,5-dihydro-1,2,4-triazine has a molecular weight of 225.65 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-2,5-dihydro-1,2,4-triazine is sourced from PubChem (CID 91007682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).